(3,4-dimethoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4)OC

InChI

InChI=1S/C25H27N5O5/c1-34-23-8-5-19(14-24(23)35-2)25(31)29-12-10-28(11-13-29)20-6-7-22(30(32)33)21(15-20)27-17-18-4-3-9-26-16-18/h3-9,14-16,27H,10-13,17H2,1-2H3